2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid

C11H15NO4 — CID 87113831

IUPAC2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESCCONC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-2-16-12-10(11(14)15)7-8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3,(H,14,15)
InChIKeyWBNIBXIBXCPMOW-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.93
Rot. Bonds6

About 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid

2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 87113831) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID87113831
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESCCONC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-2-16-12-10(11(14)15)7-8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3,(H,14,15)
InChIKeyWBNIBXIBXCPMOW-UHFFFAOYSA-N
XLogP0.93
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
2-[[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]oxymethyl]benzoic acid
CID 88708876
[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]astatine
CID 175700349
(2R)-3-(4-hydroxyphenyl)-2-(methylcarbamoylamino)propanoic acid
CID 104904497
(2S)-3-(4-hydroxyphenyl)-2-(propylsulfonylamino)propanoic acid
CID 30046268
(2R)-3-(4-hydroxyphenyl)-2-(4-methylpentanoylamino)propanoic acid
CID 28777757
(2R)-3-(4-hydroxyphenyl)-2-(propan-2-ylcarbamoylamino)propanoic acid
CID 28737836
3-(4-hydroxyphenyl)-2-(4-methylpentan-2-ylamino)propanoic acid
CID 114284796
2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 16770506
(2S)-2-(hexylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54571397
(2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 61173060
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid (CID 87113831) is 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid is CCONC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is WBNIBXIBXCPMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-16-12-10(11(14)15)7-8-3-5-9(13)6-4-8/h3-6,10,12-13H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid?
2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 87113831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).